NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4506 8.3049 120.3541 55.0150 34.9991 175.8004 2 K 3.7214 7.9909 117.6924 52.8053 31.7143 175.2798 3 K 3.6634 5.9335 117.5625 60.3351 33.1803 180.5871 4 D 3.6619 7.3974 111.7887 54.8555 43.8456 177.3232 5 I 3.5651 7.1491 120.4564 64.5703 38.0749 175.8794 6 H 4.7724 8.0516 119.6671 53.8358 31.5511 173.3125 7 P 4.1777 0.0000 0.0000 63.7690 31.7046 180.3695 8 K 4.6988 7.6729 122.3143 57.3671 33.7061 174.4740 9 Y 4.3102 8.2110 125.3570 54.4330 43.7543 172.6848 10 E 3.8560 9.0756 115.8058 56.9205 28.3199 174.0314 11 E 4.1694 5.9000 119.0782 54.7795 30.4067 176.1590 12 I 4.4009 8.1160 119.8948 60.8059 39.0862 174.7058 13 T 4.2355 7.9048 112.5979 61.4280 70.3539 171.2309 14 A 4.7261 8.8066 130.1184 51.3483 19.8219 176.8189 15 S 4.5047 8.6543 118.5747 57.1304 62.6164 173.6590 16 C 4.6819 8.5502 124.8855 59.1423 30.6872 174.6399 17 S 4.3135 8.9934 115.0932 58.7138 62.2064 176.1949 18 C 4.4902 5.7800 116.5150 57.4370 27.5507 172.8294 19 G 4.3301 8.6038 116.5521 43.3598 0.0000 170.9622 20 N 4.2286 7.0295 116.9077 52.4385 41.4531 174.2038 21 V 4.3418 8.2232 123.1419 61.6062 33.9376 174.4701 22 M 4.5118 8.5989 128.6108 55.8002 33.0518 177.3263 23 K 4.4614 7.7858 122.2773 56.5848 33.1889 175.3047 24 I 4.5946 7.8179 116.1251 60.3104 40.8748 174.1126 25 R 4.5931 8.9862 128.9797 56.2971 33.8846 174.9255 26 S 4.7283 9.2363 124.2822 58.9228 67.7653 177.8650 27 T 3.7748 8.9901 116.6525 63.0647 68.4099 172.9594 28 V 4.3994 8.2069 119.0083 59.9359 36.1203 173.8074 29 G 4.3485 9.4544 104.8518 46.0902 0.0000 172.4176 30 H 4.7405 8.3454 119.6327 54.3989 33.0879 173.4080 31 D 5.4880 8.7509 127.8247 53.9801 41.2378 175.9802 32 L 4.5232 7.3050 118.9170 57.1474 43.0153 171.0756 33 N 5.1583 8.5155 112.8370 55.0144 39.7540 172.8832 34 L 3.3607 8.6337 113.4765 56.4022 39.6672 174.3891 35 D 4.4240 7.7485 118.1686 51.8979 41.3362 176.7506 36 V 3.6691 8.0137 125.2005 62.8082 31.0831 175.0637 37 C 4.4040 8.4865 123.7656 56.9039 30.5231 174.6710 38 S 4.3105 9.0226 119.6372 61.2630 63.2592 177.2326 39 K 4.5036 7.4020 123.0542 55.2764 30.5596 176.2339 40 C 3.4163 8.0153 114.6816 62.1600 29.6745 173.3750 41 H 4.4411 8.0048 117.7119 53.2958 32.6025 172.0534 42 P 4.3438 0.0000 0.0000 62.8360 31.3952 174.8956 43 F 4.8398 8.7583 125.1834 56.3779 42.5684 174.2966 44 F 5.0173 8.1132 120.3907 55.4935 37.1037 175.1635 45 T 4.0369 8.2484 117.6360 61.5486 70.0257 175.1973 46 G 4.6154 8.0119 112.5074 44.6215 0.0000 172.8821 47 K 4.3665 7.4430 118.9204 56.6031 34.8365 174.9951 48 Q 4.7118 7.9832 115.2574 54.8588 32.3262 174.4043 49 R 4.1032 8.1919 118.0159 58.1744 30.3352 175.9765 50 D 4.9728 8.8009 124.0160 55.3183 41.3312 176.4385 51 V 3.6837 7.5972 116.2783 65.6878 31.9103 177.4334 52 A 4.2080 8.7547 121.0349 55.1794 18.1745 179.4059 53 T 4.1054 7.9456 110.9538 64.6032 67.5034 176.6439 54 G 3.7014 7.7657 107.4669 47.6042 0.0000 175.5531 55 G 4.0420 7.5779 104.0027 46.8126 0.0000 175.0023 56 R 4.0062 7.7291 120.7775 57.5772 30.0262 177.6410 57 V 3.7739 7.7107 115.9326 64.9278 33.2617 177.7502 58 D 5.0859 7.3810 124.4475 53.9661 41.5414 175.6880 59 R 4.1547 8.9488 114.8142 55.2736 30.5273 175.5533 60 F 5.4829 8.9748 134.6759 57.7655 42.3970 174.7524 61 N 4.8934 7.6373 117.7760 55.2743 39.3578 176.9518 62 K 3.9275 8.0222 119.0813 59.8022 32.0672 179.3206 63 R 4.1221 8.1882 115.9592 58.0844 30.4363 176.8076 64 F 5.0134 8.7239 119.5170 57.9823 40.9717 175.8145 65 N 4.4020 8.1568 117.2881 55.3583 38.8892 174.4635 66 I 4.3358 7.4128 115.5555 63.3515 39.0631 175.2003 67 P 4.4391 0.0000 0.0000 65.1650 32.9360 177.2592 68 G 3.4811 7.3453 107.6395 45.3682 0.0000 177.3315 69 S 3.9553 8.7576 115.5795 59.8567 63.5896 174.2834 70 K 4.1909 8.6197 122.4383 56.7858 31.2279 176.2558 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.45 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 7.99 3.72 0.00 2.12 1.59 0.00 2.00 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.50 7.81 3 K 5.93 3.66 0.00 2.14 2.31 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.68 7.81 4 D 7.40 3.66 0.00 2.79 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 7.15 3.57 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.99 0.00 0.00 6 H 8.05 4.77 0.00 3.11 3.25 0.00 5.98 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.18 0.00 2.10 1.90 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 8 K 7.67 4.70 0.00 2.01 1.46 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.25 7.81 9 Y 8.21 4.31 0.00 2.97 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.08 3.86 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 11 E 5.90 4.17 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 12 I 8.12 4.40 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.54 0.92 0.00 0.00 13 T 7.90 4.24 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 14 A 8.81 4.73 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.65 4.50 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.55 4.68 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.99 4.31 0.00 3.79 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 C 5.78 4.49 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.60 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.03 4.23 0.00 2.65 2.66 0.00 0.00 6.63 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.22 4.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.96 0.00 0.00 22 M 8.60 4.51 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 23 K 7.79 4.46 0.00 1.91 1.72 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.51 1.49 7.81 24 I 7.82 4.59 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.91 0.00 0.00 25 R 8.99 4.59 0.00 1.91 1.86 0.00 3.26 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 26 S 9.24 4.73 0.00 3.84 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.99 3.77 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 28 V 8.21 4.40 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.16 0.00 0.00 29 G 9.45 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.35 4.74 0.00 2.95 3.01 0.00 6.01 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.75 5.49 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.30 4.52 0.00 1.75 1.88 0.95 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.52 5.16 0.00 2.97 2.99 0.00 0.00 6.34 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.63 3.36 0.00 1.73 1.66 0.75 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.75 4.42 0.00 2.73 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.01 3.67 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.88 0.00 0.00 37 C 8.49 4.40 0.00 3.16 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 9.02 4.31 0.00 4.05 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.40 4.50 0.00 1.87 1.69 0.00 1.81 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.45 7.81 40 C 8.02 3.42 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.00 4.44 0.00 3.04 3.16 0.00 5.97 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.34 0.00 1.98 2.12 0.00 3.39 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 43 F 8.76 4.84 0.00 3.09 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.11 5.02 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.25 4.04 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 46 G 8.01 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.44 4.37 0.00 1.98 2.03 0.00 1.52 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 48 Q 7.98 4.71 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.46 7.05 0.00 0.00 0.00 0.00 0.00 2.48 2.37 0.00 49 R 8.19 4.10 0.00 1.48 1.68 0.00 3.43 0.00 0.00 3.11 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.47 0.00 50 D 8.80 4.97 0.00 2.95 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.60 3.68 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.08 0.00 0.00 52 A 8.75 4.21 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.95 4.11 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 54 G 7.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.58 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.73 4.01 0.00 1.89 1.80 0.00 3.19 0.00 0.00 3.22 8.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 57 V 7.71 3.77 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.97 0.00 0.00 58 D 7.38 5.09 0.00 2.90 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.95 4.15 0.00 2.00 1.55 0.00 3.49 0.00 0.00 3.17 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 60 F 8.97 5.48 0.00 3.03 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.64 4.89 0.00 2.81 2.93 0.00 0.00 7.15 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.02 3.93 0.00 1.93 1.91 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.57 7.81 63 R 8.19 4.12 0.00 1.96 2.14 0.00 3.47 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 64 F 8.72 5.01 0.00 2.98 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.16 4.40 0.00 2.84 2.91 0.00 0.00 6.99 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 I 7.41 4.34 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.89 0.00 0.00 67 P 0.00 4.44 0.00 2.35 2.40 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.25 0.00 68 G 7.35 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.76 3.96 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.62 4.19 0.00 1.83 1.93 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.44 7.81